1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H19FN3O2+ MolecularWeight: 352.382163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C20H18FN3O2/c1-13-10-18(14(2)24(13)17-7-5-16(21)6-8-17)19(25)12-23-9-3-4-15(11-23)20(22)26/h3-11H,12H2,1-2H3,(H-,22,26)/p+1